Geometry & MOs

Info

ID:

448135

PubChem CID:

135288705

Reduced:

F3O3N5C33H40 (1)

Stoich.:

A3B3C5D33E40 (1)

Weight, g/mol:

514.109106

ΔHf, kcal/mol:

-213.37

Dipole, Da:

12.07

IP(EA), eV:

 -8.91(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(5-chlorothiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C(=C1C(C(=O)OC)OC(C)(C)C)N3CCC(CC3)(C)C)C4=CC=CC(=C4)C5=CC(=NN5C)C(F)(F)F

DOS

IR

Vibrations